[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone

C19H29N3O5S — CID 51937047

IUPAC[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C
InChIInChI=1S/C19H29N3O5S/c1-14-5-6-17(11-18(14)26-4)19(23)20-7-9-21(10-8-20)28(24,25)22-12-15(2)27-16(3)13-22/h5-6,11,15-16H,7-10,12-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyWENFFZHVENTEIA-HZPDHXFCSA-N
MW411.52 g/mol
LogP1.12
Rot. Bonds4

About [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone

[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 51937047) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID51937047
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Name[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C
InChIInChI=1S/C19H29N3O5S/c1-14-5-6-17(11-18(14)26-4)19(23)20-7-9-21(10-8-20)28(24,25)22-12-15(2)27-16(3)13-22/h5-6,11,15-16H,7-10,12-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyWENFFZHVENTEIA-HZPDHXFCSA-N
XLogP1.12
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone
CID 55601246
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 46452768
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 51937054
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 51257114
4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627528
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55617869
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 51937047) is [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C.
What is the InChIKey of [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is WENFFZHVENTEIA-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-14-5-6-17(11-18(14)26-4)19(23)20-7-9-21(10-8-20)28(24,25)22-12-15(2)27-16(3)13-22/h5-6,11,15-16H,7-10,12-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 411.52 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 51937047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).